An efficient method for computing the binding energy of an adsorbed molecule within a periodic approach. The application to vinyl fluoride at rutile TiO2(1 1 0) surface (2011)

First Author: Scaranto J
Attributed to:  Modelling of Advanced Functional Materials using Terascale Computing funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1016/j.commatsci.2011.02.011

Publication URI: http://dx.doi.org/10.1016/j.commatsci.2011.02.011

Type: Journal Article/Review

Parent Publication: Computational Materials Science

Issue: 7